3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

C26H31NO2 — CID 139063676

IUPAC3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCc1cc(C)cc(N)c1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C18H20O2.C8H11N/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-6-3-7(2)5-8(9)4-6/h4-11,19-20H,1-3,12-13H2;3-5H,9H2,1-2H3
InChIKeyKYZNPVQUECGDQM-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.23
Rot. Bonds2

About 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol

3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 139063676) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID139063676
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCc1cc(C)cc(N)c1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C18H20O2.C8H11N/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-6-3-7(2)5-8(9)4-6/h4-11,19-20H,1-3,12-13H2;3-5H,9H2,1-2H3
InChIKeyKYZNPVQUECGDQM-UHFFFAOYSA-N
XLogP6.23
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol (CID 139063676) is 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol is Cc1cc(C)cc(N)c1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.
What is the InChIKey of 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is KYZNPVQUECGDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.C8H11N/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-6-3-7(2)5-8(9)4-6/h4-11,19-20H,1-3,12-13H2;3-5H,9H2,1-2H3.
What are the key properties of 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol?
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 389.54 g/mol, XLogP of 6.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 139063676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).